Record Information |
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Version | 1.0 |
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Created at | 2020-04-17 18:49:58 UTC |
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Updated at | 2022-12-13 23:36:23 UTC |
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CannabisDB ID | CDB004914 |
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Secondary Accession Numbers | Not Available |
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Cannabis Compound Identification |
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Common Name | Putrescine |
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Description | Putrescine, also known as 1,4-butanediamine or 1,4-diaminobutane, belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group. Putrescine is a very strong basic compound (based on its pKa). Putrescine exists in all living species, ranging from bacteria to humans. S-adenosylmethioninamine and putrescine can be converted into 5'-methylthioadenosine and spermidine through the action of the enzyme spermidine synthase. In humans, putrescine is involved in the metabolic disorder called hypermethioninemia. Outside of the human body, Putrescine is found, on average, in the highest concentration within a few different foods, such as grape wines, wheats, and barley and in a lower concentration in dills, turnips, and carrots. Putrescine has also been detected, but not quantified in, several different foods, such as chestnuts, cardamoms, tinda, apples, and asian pears. This could make putrescine a potential biomarker for the consumption of these foods. Putrescine is a potentially toxic compound. Putrescine is expected to be in Cannabis as all living plants are known to produce and metabolize it. |
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Structure | |
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Synonyms | Value | Source |
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1,4-Butanediamine | ChEBI | 1,4-Butylenediamine | ChEBI | 1,4-DIAMINOBUTANE | ChEBI | 1,4-Tetramethylenediamine | ChEBI | Butane-1,4-diamine | ChEBI | Butylenediamine | ChEBI | H2N(CH2)4nh2 | ChEBI | Putrescin | ChEBI | Putrescina | ChEBI | Putreszin | ChEBI | Tetramethylendiamin | ChEBI | Tetramethylenediamine | ChEBI | 1,4-Butanediammonium | HMDB | Tetramethyldiamine | HMDB | 1,4 Diaminobutane | HMDB | 1,4 Butanediamine | HMDB |
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Chemical Formula | C4H12N2 |
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Average Molecular Weight | 88.15 |
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Monoisotopic Molecular Weight | 88.1 |
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IUPAC Name | butane-1,4-diamine |
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Traditional Name | putrescine |
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CAS Registry Number | 1071-98-3 |
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SMILES | NCCCCN |
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InChI Identifier | InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2 |
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InChI Key | KIDHWZJUCRJVML-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group. |
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Kingdom | Organic compounds |
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Super Class | Organic nitrogen compounds |
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Class | Organonitrogen compounds |
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Sub Class | Amines |
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Direct Parent | Monoalkylamines |
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Alternative Parents | |
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Substituents | - Organopnictogen compound
- Hydrocarbon derivative
- Primary aliphatic amine
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Ontology |
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Physiological effect | Health effect: |
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Disposition | Route of exposure: Source: Biological location: |
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Role | Biological role: |
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Physical Properties |
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State | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | 27.5 °C | Not Available | Boiling Point | 158.6 °C | Wikipedia | Water Solubility | Not Available | Not Available | logP | -0.70 | SANGSTER (1994) |
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Predicted Properties | [] |
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Spectra |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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EI-MS | Mass Spectrum (Electron Ionization) | splash10-001i-9000000000-2b410aa72c9bb951a79d | 2014-09-20 | View Spectrum | GC-MS | Putrescine, 4 TMS, GC-MS Spectrum | splash10-00di-1910000000-5694141cafbe39951441 | Spectrum | GC-MS | Putrescine, non-derivatized, GC-MS Spectrum | splash10-00di-1900000000-eeb4354250406805ebe6 | Spectrum | GC-MS | Putrescine, 4 TMS, GC-MS Spectrum | splash10-00di-8910000000-af71049ab8358b0042ff | Spectrum | GC-MS | Putrescine, 2 TMS, GC-MS Spectrum | splash10-00di-8900000000-0ba23327cabd9b2815f5 | Spectrum | GC-MS | Putrescine, 3 TMS, GC-MS Spectrum | splash10-00di-2900000000-234e1b62f4e830226779 | Spectrum | GC-MS | Putrescine, 4 TMS, GC-MS Spectrum | splash10-00di-1900000000-e29f1004e27fcb9cfe7b | Spectrum | GC-MS | Putrescine, non-derivatized, GC-MS Spectrum | splash10-001i-9000000000-224d3a5d3fbe7e1c6bd4 | Spectrum | GC-MS | Putrescine, non-derivatized, GC-MS Spectrum | splash10-001i-9000000000-5759f91b24f2e27cc466 | Spectrum | GC-MS | Putrescine, non-derivatized, GC-MS Spectrum | splash10-00di-9000000000-226a78b715ff64ec7067 | Spectrum | GC-MS | Putrescine, non-derivatized, GC-MS Spectrum | splash10-00di-1910000000-5694141cafbe39951441 | Spectrum | GC-MS | Putrescine, non-derivatized, GC-MS Spectrum | splash10-00di-1900000000-eeb4354250406805ebe6 | Spectrum | GC-MS | Putrescine, non-derivatized, GC-MS Spectrum | splash10-00di-8910000000-af71049ab8358b0042ff | Spectrum | GC-MS | Putrescine, non-derivatized, GC-MS Spectrum | splash10-00di-8900000000-0ba23327cabd9b2815f5 | Spectrum | GC-MS | Putrescine, non-derivatized, GC-MS Spectrum | splash10-00di-2900000000-234e1b62f4e830226779 | Spectrum | GC-MS | Putrescine, non-derivatized, GC-MS Spectrum | splash10-00di-1900000000-e29f1004e27fcb9cfe7b | Spectrum | GC-MS | Putrescine, non-derivatized, GC-MS Spectrum | splash10-00di-8900000000-0ba23327cabd9b2815f5 | Spectrum | GC-MS | Putrescine, non-derivatized, GC-MS Spectrum | splash10-00di-2900000000-234e1b62f4e830226779 | Spectrum | GC-MS | Putrescine, non-derivatized, GC-MS Spectrum | splash10-00di-1900000000-e29f1004e27fcb9cfe7b | Spectrum | GC-MS | Putrescine, non-derivatized, GC-MS Spectrum | splash10-00di-1900000000-6861f65288867dab7690 | Spectrum | GC-MS | Putrescine, non-derivatized, GC-MS Spectrum | splash10-00di-2900000000-7923303f8f970b8d2dd6 | Spectrum | Predicted GC-MS | Putrescine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-001i-9000000000-4d1729dd236ab6f44cd9 | Spectrum | Predicted GC-MS | Putrescine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated) | splash10-00di-9000000000-f718a117761c1c7ea80d | 2012-07-24 | View Spectrum | MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated) | splash10-00di-9000000000-47752c8c65e2d83e78fb | 2012-07-24 | View Spectrum | MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated) | splash10-00du-9000000000-3603b20551e892ad6c5e | 2012-07-24 | View Spectrum | MS/MS | LC-MS/MS Spectrum - EI-B (HITACHI RMU-6L) , Positive | splash10-001i-9000000000-224d3a5d3fbe7e1c6bd4 | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - EI-B (HITACHI RMU-6M) , Positive | splash10-001i-9000000000-5759f91b24f2e27cc466 | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - CI-B (HITACHI M-80) , Positive | splash10-00di-9000000000-226a78b715ff64ec7067 | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive | splash10-00dr-9000000000-0b342438cba3ac71bccb | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Positive | splash10-00di-9000000000-8add450cd915232f7353 | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Positive | splash10-00di-9000000000-7a496471bdf7e391fdc8 | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Positive | splash10-00di-9000000000-84da87b521647b4f42ab | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Positive | splash10-001l-9000000000-3ca1e2cd5a7e125ac52e | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Positive | splash10-000i-9000000000-830221d5ea74a91c32e1 | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , positive | splash10-00dr-9000000000-0b342438cba3ac71bccb | 2017-09-14 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , positive | splash10-00di-9000000000-8add450cd915232f7353 | 2017-09-14 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , positive | splash10-00di-9000000000-7a496471bdf7e391fdc8 | 2017-09-14 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , positive | splash10-00di-9000000000-84da87b521647b4f42ab | 2017-09-14 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , positive | splash10-001l-9000000000-3ca1e2cd5a7e125ac52e | 2017-09-14 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QTOF , positive | splash10-000i-9000000000-830221d5ea74a91c32e1 | 2017-09-14 | View Spectrum | MS/MS | LC-MS/MS Spectrum - 40V, Positive | splash10-00dl-9000000000-81dccfb50af8f3631f9b | 2021-09-20 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0079-9000000000-896934367d7bc245c8b3 | 2015-05-26 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-05g0-9000000000-96d51f0aa46b0ab332d0 | 2015-05-26 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4l-9000000000-de02b50a4b8a279875e4 | 2015-05-26 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-9000000000-73c448854a91ad5a9644 | 2015-05-27 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-9000000000-c600a93b8d737a254884 | 2015-05-27 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-059f-9000000000-ce7ae61a17ef7cb9b2c2 | 2015-05-27 | View Spectrum |
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NMR | Type | Description | | View |
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1D NMR | 13C NMR Spectrum (1D, 125 MHz, H2O, experimental) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, experimental) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, D2O, experimental) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, H2O, experimental) | | Spectrum | 2D NMR | [1H, 1H]-TOCSY. Unexported temporarily by An Chi on Oct 15, 2021 until json or nmrML file is generated. 2D NMR Spectrum (experimental) | | Spectrum | 2D NMR | [1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental) | | Spectrum |
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Pathways |
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Pathways | Name | SMPDB/Pathwhiz | KEGG | Methionine Metabolism | | | Spermidine and Spermine Biosynthesis | | Not Available | Cystathionine Beta-Synthase Deficiency | | Not Available | Hypermethioninemia | | Not Available | S-Adenosylhomocysteine (SAH) Hydrolase Deficiency | | Not Available |
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Protein Targets |
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Enzymes | |
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Transporters | |
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Metal Bindings | |
Gamma-butyrobetaine dioxygenase | BBOX1 | 11p14.2 | O75936 | details | Amiloride-sensitive amine oxidase [copper-containing] | ABP1 | 7q36.1 | P19801 | details | Betaine--homocysteine S-methyltransferase 1 | BHMT | 5q14.1 | Q93088 | details | Agmatinase, mitochondrial | AGMAT | 1p36.21 | Q9BSE5 | details | Trimethyllysine dioxygenase, mitochondrial | TMLHE | Xq28 | Q9NVH6 | details | S-methylmethionine--homocysteine S-methyltransferase BHMT2 | BHMT2 | 5q13 | Q9H2M3 | details |
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Receptors | |
Amiloride-sensitive amine oxidase [copper-containing] | ABP1 | 7q36.1 | P19801 | details |
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Transcriptional Factors | Not Available |
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Concentrations Data |
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Alien Dawg | Detected and Quantified | 0.00173 mg/g dry wt | | details | Gabriola | Detected and Quantified | 0.000925 mg/g dry wt | | details | Island Honey | Detected and Quantified | 0.000915 mg/g dry wt | | details | Quadra | Detected and Quantified | 0.000928 mg/g dry wt | | details | Sensi Star | Detected and Quantified | 0.000957 mg/g dry wt | | details | Tangerine Dream | Detected and Quantified | 0.00121 mg/g dry wt | | details |
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External Links |
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HMDB ID | HMDB0001414 |
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DrugBank ID | DB01917 |
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Phenol Explorer Compound ID | Not Available |
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FoodDB ID | FDB001494 |
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KNApSAcK ID | C00001428 |
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Chemspider ID | 13837702 |
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KEGG Compound ID | C00134 |
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BioCyc ID | PUTRESCINE |
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BiGG ID | 33980 |
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Wikipedia Link | Putrescine |
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METLIN ID | 3226 |
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PubChem Compound | 1045 |
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PDB ID | Not Available |
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ChEBI ID | 17148 |
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References |
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General References | Not Available |
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